Information card for entry 7152810

Structure parameters

• Formula: C112 H102 Cl4 N6 O6 S6
• Calculated formula: C112 H102 Cl4 N6 O6 S6
• Title of publication: Dual channel chromo/fluorogenic chemosensors for cyanide and fluoride ions‒an example of in situ acid catalysis of the Strecker reaction for cyanide ion chemodosimetry.
• Authors of publication: Sharma, Sanyog; Hundal, Maninder Singh; Hundal, Geeta
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 654 - 661
• a: 23.896 ± 0.007 Å
• b: 23.896 ± 0.007 Å
• c: 30.268 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14968 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No